General Information of the Compound
| Compound ID |
CP0435536
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| Compound Name |
2-Amino-ethanesulfonic acid {4-[3-(4-tert-butyl-benzyl)-thioureidomethyl]-phenyl}-amide
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| Structure |
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| Formula |
C21H30N4O2S2
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| Molecular Weight |
434.631
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| Canonical SMILES |
CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(=O)(=O)CCN)cc2)cc1
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| InChI |
InChI=1S/C21H30N4O2S2/c1-21(2,3)18-8-4-16(5-9-18)14-23-20(28)24-15-17-6-10-19(11-7-17)25-29(26,27)13-12-22/h4-11,25H,12-15,22H2,1-3H3,(H2,23,24,28)
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| InChIKey |
BIHZJDNFKFQMIZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound